4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide

C20H20N10O — CID 46208478

IUPAC4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4ccncn4)ncc3C(N)=O)CC2)nn1
InChIInChI=1S/C20H20N10O/c21-10-14-1-2-19(29-28-14)30-7-4-13(5-8-30)26-16-9-18(24-11-15(16)20(22)31)27-17-3-6-23-12-25-17/h1-3,6,9,11-13H,4-5,7-8H2,(H2,22,31)(H2,23,24,25,26,27)
InChIKeyGOJBJJFRQUERMO-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.46
Rot. Bonds6

About 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide

4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide (PubChem CID 46208478) has the molecular formula C20H20N10O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
PubChem CID46208478
Molecular FormulaC20H20N10O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Nc3cc(Nc4ccncn4)ncc3C(N)=O)CC2)nn1
InChIInChI=1S/C20H20N10O/c21-10-14-1-2-19(29-28-14)30-7-4-13(5-8-30)26-16-9-18(24-11-15(16)20(22)31)27-17-3-6-23-12-25-17/h1-3,6,9,11-13H,4-5,7-8H2,(H2,22,31)(H2,23,24,25,26,27)
InChIKeyGOJBJJFRQUERMO-UHFFFAOYSA-N
XLogP1.46
TPSA158.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 155537151
6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 67372281
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440183
4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118371240
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[[4-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440352
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252
4-(cyclopentylamino)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
CID 171406883
3-fluoro-5-[4-(pyrimidin-4-ylamino)piperidin-1-yl]benzonitrile
CID 171326868
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 154744321
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide
CID 58440217

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide (CID 46208478) is 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide is N#Cc1ccc(N2CCC(Nc3cc(Nc4ccncn4)ncc3C(N)=O)CC2)nn1.
What is the InChIKey of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is GOJBJJFRQUERMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N10O/c21-10-14-1-2-19(29-28-14)30-7-4-13(5-8-30)26-16-9-18(24-11-15(16)20(22)31)27-17-3-6-23-12-25-17/h1-3,6,9,11-13H,4-5,7-8H2,(H2,22,31)(H2,23,24,25,26,27).
What are the key properties of 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide?
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 46208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).